Information card for entry 7233261

Structure parameters

• Formula: C6 H16 N2 O6 S2
• Calculated formula: C6 H14 N2 O6 S2
• Title of publication: Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes
• Authors of publication: Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 33
• Pages of publication: 4996
• a: 5.688 ± 0.005 Å
• b: 8.922 ± 0.005 Å
• c: 11.235 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.065 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 570.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No